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	hartrees
Energy at 0K	-27.137694
Energy at 298.15K	-27.140390
HF Energy	-27.137694
Nuclear repulsion energy	10.289639

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2672	2571	48.22
2	A₁	2076	1997	105.34
3	A₁	1274	1225	28.96
4	A₁	838	806	4.99
5	A₂	638	614	0.00
6	B₁	2786	2680	110.87
7	B₁	1092	1050	0.97
8	B₂	1892	1820	3.48
9	B₂	768	739	0.01

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.136
H2	0.000	0.589	-1.011
H3	0.000	-0.589	-1.011
H4	-1.057	0.000	0.671
H5	1.057	0.000	0.671

	B1	H2	H3	H4	H5
B1		1.2896	1.2896	1.1851	1.1851
H2	1.2896		1.1773	2.0728	2.0728
H3	1.2896	1.1773		2.0728	2.0728
H4	1.1851	2.0728	2.0728		2.1144
H5	1.1851	2.0728	2.0728	2.1144

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	B1	H3	54.317	H2	B1	H4	113.703
H2	B1	H5	113.703	H3	B1	H4	113.703
H3	B1	H5	113.703	H4	B1	H5	126.280

All results from a given calculation for BH₄ (borohydride)

using model chemistry: TPSSh/6-31G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	B	-0.141
2	H	0.054
3	H	0.054
4	H	0.017
5	H	0.017

	x	y	z	Total
	0.000	0.000	-1.177	1.177
CHELPG
AIM
ESP

<r²>	11.830
(<r²>)^1/2	3.439

All results from a given calculation for BH4 (borohydride)

using model chemistry: TPSSh/6-31G

States and conformations

All results from a given calculation for BH₄ (borohydride)